TL;DR: RefChem:1066250 (CAS 33318-54-6) is a chemical compound with molecular formula C38H51N3 and molecular weight 549.4083 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[[2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentylidene]amino]methyl]-N,N-dimethyl-3-naphthalen-1-ylhexan-1-amine
Also Known As: 1-Naphthalenepropylamine, gamma,gamma'-nitrilodimethylenebis(N,N-dimethyl-gamma-propyl-, gamma,gamma'-Nitrilodimethylenebis(N,N-dimethyl-gamma-propyl-1-naphthalenepropylamine), 3-[[[2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentylidene, 1,4-Butanediamine, N1-(2-(2-(dimethylamino)ethyl)-2-(1-naphthyl)pentylidene)-N4,N4-dimethyl-2-(1-naphthyl)-2-propyl-, n1-[(1e)-2-[2-(dimethylamino)ethyl]-2-(naphthalen-1-yl)pentylidene]-n4,n4-dimethyl-2-(naphthalen-1-yl)-2-propylbutane-1,4-diamine
| Molecular Formula | C38H51N3 |
| Molecular Weight | 549.4083 g/mol |
| XLogP | 9.2 |
| Topological Polar Surface Area (TPSA) | 18.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 15 |
| Exact Mass | 549.4083 Da |
| Heavy Atoms | 41 |
| Complexity | 775.0 |
| SMILES | CCCC(CCN(C)C)(CN=CC(CCC)(CCN(C)C)C1=CC=CC2=CC=CC=C21)C3=CC=CC4=CC=CC=C43 |
| InChIKey | PXGXBGMFHZROFF-UHFFFAOYSA-N |
The XLogP value of 9.2 indicates that RefChem:1066250 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.8 Ų, RefChem:1066250 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1066250 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:1066250 is 33318-54-6.
The molecular formula of RefChem:1066250 is C38H51N3.
The molecular weight of RefChem:1066250 is 549.4083 g/mol.
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